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Ligand

NameCHEMBL3921777
Molecular formulaC27H29ClF5N3O2
IUPAC name(3R,4S)-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-[(4,4-difluoropiperidin-1-yl)methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight557.99
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.7
SynonymsSCHEMBL15251137
Inchi KeyLBETUEGDHGVQRO-IQGLISFBSA-N
Inchi IDInChI=1S/C27H29ClF5N3O2/c1-16-5-4-6-17(2)22(16)36-15-25(18(3)23(36)37,14-35-9-7-26(29,30)8-10-35)24(38)34-21-12-19(27(31,32)33)11-20(28)13-21/h4-6,11-13,18H,7-10,14-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1
PubChem CID89799785
ChEMBLCHEMBL3921777
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
540666Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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